methyl 5-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]pentanoate

Systemtic Name: methyl 5-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]pentanoate Openeye Name: methyl 5-[4-phenyl-5-[4-(4-piperidyl)phenyl]-1,2,4-triazol-3-yl]pentanoate CAS Name: 5-[4-phenyl-5-[4-(4-piperidinyl)phenyl]-1,2,4-triazol-3-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]pentanoate Traditional Name: 5-[4-phenyl-5-[4-(4-piperidyl)phenyl]-1,2,4-triazol-3-yl]valeric acid methyl ester Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C4CCNCC4

Isomeric SMILES

COC(=O)CCCCC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C4CCNCC4

InChI

InChI=1S/C25H30N4O2/c1-31-24(30)10-6-5-9-23-27-28-25(29(23)22-7-3-2-4-8-22)21-13-11-19(12-14-21)20-15-17-26-18-16-20/h2-4,7-8,11-14,20,26H,5-6,9-10,15-18H2,1H3